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Butyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
SpectraBase Compound ID 6ArStjxrRh3
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-12-13-25-43-39-23-21-36(28-38(39)41)32-16-14-31(15-17-32)29-45-37-22-20-34-26-33(18-19-35(34)27-37)30(3)40(42)44-24-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey CBMMHKHFQFWCOS-PMERELPUSA-N
Mol Weight 612.8 g/mol
Molecular Formula C40H49FO4
Exact Mass 612.361488 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4b5I6XfS16v
Name Butyl (S)-2-{6-[4-(4'-decyloxy-3'-fluorophenyl)benzyloxy]-2-naphthyl}propionate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H49FO4
InChI InChI=1S/C40H49FO4/c1-4-6-8-9-10-11-12-13-25-43-39-23-21-36(28-38(39)41)32-16-14-31(15-17-32)29-45-37-22-20-34-26-33(18-19-35(34)27-37)30(3)40(42)44-24-7-5-2/h14-23,26-28,30H,4-13,24-25,29H2,1-3H3/t30-/m0/s1
InChIKey CBMMHKHFQFWCOS-PMERELPUSA-N
Molecular Weight 612.826 g/mol
SMILES c1(cc2ccc(cc2cc1)OCc1ccc(-c2cc(F)c(cc2)OCCCCCCCCCC)cc1)[C@@](C(=O)OCCCC)(C)[H]
SPLASH splash10-0f6x-1079000000-35ec0f5035ca4256ebf2
Source of Spectrum QC-25-1702-10
Synonyms Butyl (2S)-2-(6-{[4'-(decyloxy)-3'-fluoro[1,1'-biphenyl]-4-yl]methoxy}-2-naphthyl)propanoate
Wiley ID 1584376